A87-7BO4
A87-7BO4 is the adduct of the inhibitor after carbomylation by BChE-IN-3 in the structure 7BO4
General
Type : Derivative of Tryptophan, Indole, Cycloheptyl
Chemical_Nomenclature : 3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{H}-indol-6-ol
Canonical SMILES : CCCCN(CCc1c[nH]c2c1ccc(c2)O)CCC3CCCCCC3
InChI : InChI=1S\/C23H36N2O\/c1-2-3-14-25(15-12-19-8-6-4-5-7-9-19)16-13-20-18-24-23-17-21(26)10-11-22(20)23\/h10-11,17-19,24,26H,2-9,12-16H2,1H3
InChIKey : KRICXPIAKQTZMM-UHFFFAOYSA-N
Other name(s) : 3-(2-(butyl(2-cycloheptylethyl)amino)ethyl)-1H-indol-6-ol || CHEMBL5189102 || 3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{H}-indol-6-ol || BDBM50604402 || A87
MW : 356.55
Formula : C23H36N2O
CAS_number :
PubChem : 162639684
UniChem : KRICXPIAKQTZMM-UHFFFAOYSA-N
Target
References (3)
| Title : From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series - Meden_2022_Eur.J.Med.Chem_230_114248 |
| Author(s) : Meden A , Knez D , Brazzolotto X , Nachon F , Dias J , Svete J , Stojan J , Groselj U , Gobec S |
| Ref : Eur Journal of Medicinal Chemistry , 230 :114248 , 2022 |
| Abstract : |
| PubMedSearch : Meden_2022_Eur.J.Med.Chem_230_114248 |
| PubMedID: 35299116 |
| Title : From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series - Meden_2022_Eur.J.Med.Chem_230_114248 |
| Author(s) : Meden A , Knez D , Brazzolotto X , Nachon F , Dias J , Svete J , Stojan J , Groselj U , Gobec S |
| Ref : Eur Journal of Medicinal Chemistry , 230 :114248 , 2022 |
| Abstract : |
| PubMedSearch : Meden_2022_Eur.J.Med.Chem_230_114248 |
| PubMedID: 35299116 |
| Title : From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series - Meden_2022_Eur.J.Med.Chem_230_114248 |
| Author(s) : Meden A , Knez D , Brazzolotto X , Nachon F , Dias J , Svete J , Stojan J , Groselj U , Gobec S |
| Ref : Eur Journal of Medicinal Chemistry , 230 :114248 , 2022 |
| Abstract : |
| PubMedSearch : Meden_2022_Eur.J.Med.Chem_230_114248 |
| PubMedID: 35299116 |